2-[(2S,3S)-3-acetyloxy-4-oxidanylidene-2-thiophen-3-yl-2,3-dihydro-1,5-benzothiazepin-5-yl]ethyl-dimethyl-azanium

Systemtic Name: 2-[(2S,3S)-3-acetyloxy-4-oxidanylidene-2-thiophen-3-yl-2,3-dihydro-1,5-benzothiazepin-5-yl]ethyl-dimethyl-azanium Openeye Name: 2-[(2S,3S)-3-acetoxy-4-oxo-2-(3-thienyl)-2,3-dihydro-1,5-benzothiazepin-5-yl]ethyl-dimethyl-ammonium CAS Name: 2-[(2S,3S)-3-acetyloxy-4-oxo-2-(3-thiophenyl)-2,3-dihydro-1,5-benzothiazepin-5-yl]ethyl-dimethylammonium IUPAC Name: 2-[(2S,3S)-3-acetyloxy-4-oxo-2-thiophen-3-yl-2,3-dihydro-1,5-benzothiazepin-5-yl]ethyl-dimethylazanium Traditional Name: 2-[(2S,3S)-3-acetoxy-4-keto-2-(3-thienyl)-2,3-dihydro-1,5-benzothiazepin-5-yl]ethyl-dimethyl-ammonium Formula: C19H23N2O3S2+ MolecularWeight: 391.52752

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(SC2=CC=CC=C2N(C1=O)CC[NH+](C)C)C3=CSC=C3

Isomeric SMILES

CC(=O)O[C@@H]1[C@@H](SC2=CC=CC=C2N(C1=O)CC[NH+](C)C)C3=CSC=C3

InChI

InChI=1S/C19H22N2O3S2/c1-13(22)24-17-18(14-8-11-25-12-14)26-16-7-5-4-6-15(16)21(19(17)23)10-9-20(2)3/h4-8,11-12,17-18H,9-10H2,1-3H3/p+1/t17-,18+/m1/s1